4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine

C28H24N2 — CID 139189777

IUPAC4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine
SMILESCc1cncc(C)c1-c1cccc2cc3cccc(-c4c(C)cncc4C)c3cc12
InChIInChI=1S/C28H24N2/c1-17-13-29-14-18(2)27(17)23-9-5-7-21-11-22-8-6-10-24(26(22)12-25(21)23)28-19(3)15-30-16-20(28)4/h5-16H,1-4H3
InChIKeyCXYWQIYNCYODHF-UHFFFAOYSA-N
MW388.51 g/mol
LogP7.35
Rot. Bonds2

About 4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine

4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine (PubChem CID 139189777) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine.

Molecular Properties

Compound Name4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine
PubChem CID139189777
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine
SMILESCc1cncc(C)c1-c1cccc2cc3cccc(-c4c(C)cncc4C)c3cc12
InChIInChI=1S/C28H24N2/c1-17-13-29-14-18(2)27(17)23-9-5-7-21-11-22-8-6-10-24(26(22)12-25(21)23)28-19(3)15-30-16-20(28)4/h5-16H,1-4H3
InChIKeyCXYWQIYNCYODHF-UHFFFAOYSA-N
XLogP7.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylphenyl)pentacene
CID 163989342
11-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123944881
2-anthracen-1-yl-1,3,5-triazine
CID 87717818
9,10-di(anthracen-1-yl)anthracene
CID 58645093
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
3-methyl-4-naphthalen-1-ylpyridine
CID 12872900
9-methylbenzo[g]isoquinoline
CID 167164777
1-tetracen-5-yltetracene
CID 91610936
8-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123644707
4-methylbenzo[g]isoquinoline-5,10-dione
CID 73350960
3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
3-(2,3-dimethylphenyl)-4,5-dimethylpyridine
CID 146588490

Frequently Asked Questions

What is the IUPAC name of 4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine?
The IUPAC name of 4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine (CID 139189777) is 4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine.
What is the SMILES notation for 4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine?
The canonical SMILES for 4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine is Cc1cncc(C)c1-c1cccc2cc3cccc(-c4c(C)cncc4C)c3cc12.
What is the InChIKey of 4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine?
The InChIKey is CXYWQIYNCYODHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-17-13-29-14-18(2)27(17)23-9-5-7-21-11-22-8-6-10-24(26(22)12-25(21)23)28-19(3)15-30-16-20(28)4/h5-16H,1-4H3.
What are the key properties of 4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine?
4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine has a molecular weight of 388.51 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3,5-dimethyl-4-pyridinyl)anthracen-1-yl]-3,5-dimethylpyridine is sourced from PubChem (CID 139189777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).